[3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [3-methoxy-4-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]phenyl]methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-phenyl]methyl-(3-thienylmethyl)ammonium CAS Name: [4-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-3-methoxyphenyl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]-3-methoxyphenyl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [4-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]-3-methoxy-benzyl]-(3-thenyl)ammonium Formula: C20H30N2O4S+2 MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2=CSC=C2)OCC(C[NH+]3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2=CSC=C2)OC[C@@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C20H28N2O4S/c1-24-20-10-16(11-21-12-17-4-9-27-15-17)2-3-19(20)26-14-18(23)13-22-5-7-25-8-6-22/h2-4,9-10,15,18,21,23H,5-8,11-14H2,1H3/p+2/t18-/m1/s1